Potassium trifluoro(3-((4-nitrophenyl)amino)-3-oxopropyl)borate


Chemical Name: Potassium trifluoro(3-((4-nitrophenyl)amino)-3-oxopropyl)borate
CAS Number: 1705578-36-4
Product Number: AG00ARSU(AGN-PC-0WCTQG)
Synonyms:
MDL No: MFCD28805730
Molecular Formula: C9H9BF3KN2O3
Molecular Weight: 300.0839

Identification/Properties


Computed Properties
Molecular Weight:
300.086g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
300.03g/mol
Monoisotopic Mass:
300.03g/mol
Topological Polar Surface Area:
74.9A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
311
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Potassium trifluoro(3-((4-nitrophenyl)amino)-3-oxopropyl)borate is a versatile reagent commonly used in chemical synthesis for the preparation of aryl-substituted boronic acids and esters. This compound plays a crucial role in the formation of carbon-carbon bonds through Suzuki-Miyaura cross-coupling reactions, a widely utilized method in organic chemistry for the construction of complex organic molecules. By serving as a boron source in these reactions, potassium trifluoro(3-((4-nitrophenyl)amino)-3-oxopropyl)borate enables the introduction of aryl functionality into a variety of organic compounds, allowing for the synthesis of diverse pharmaceuticals, agrochemicals, and materials with tailored properties. Its compatibility with a range of functional groups and its ability to facilitate efficient and selective carbon-carbon bond formation make it a valuable tool for chemists engaged in the design and synthesis of novel organic molecules.